3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one

C23H27F2N5O4 — CID 66681720

About 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one

3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 66681720) has the molecular formula C23H27F2N5O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 66681720
• Molecular Formula: C23H27F2N5O4
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.20
• IUPAC Name: 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1ccc(C=NNc2c(F)c(OCCN3CCOC3=O)nc(N3CCOCC3)c2F)cc1C
• InChI: InChI=1S/C23H27F2N5O4/c1-15-3-4-17(13-16(15)2)14-26-28-20-18(24)21(29-5-9-32-10-6-29)27-22(19(20)25)33-11-7-30-8-12-34-23(30)31/h3-4,13-14H,5-12H2,1-2H3,(H,27,28)
• InChIKey: CNVDSIDLWOOSBL-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 88.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 66681720) is 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is Cc1ccc(C=NNc2c(F)c(OCCN3CCOC3=O)nc(N3CCOCC3)c2F)cc1C.

What is the InChIKey of 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is CNVDSIDLWOOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O4/c1-15-3-4-17(13-16(15)2)14-26-28-20-18(24)21(29-5-9-32-10-6-29)27-22(19(20)25)33-11-7-30-8-12-34-23(30)31/h3-4,13-14H,5-12H2,1-2H3,(H,27,28).

What are the key properties of 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one?

3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 475.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[4-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66681720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).